CID 102613995

4-chloro-8-(difluoromethoxy)-3-nitroquinoline

Structural Information

Molecular Formula
C10H5ClF2N2O3
SMILES
C1=CC2=C(C(=CN=C2C(=C1)OC(F)F)[N+](=O)[O-])Cl
InChI
InChI=1S/C10H5ClF2N2O3/c11-8-5-2-1-3-7(18-10(12)13)9(5)14-4-6(8)15(16)17/h1-4,10H
InChIKey
NOZOELMIWKDMGT-UHFFFAOYSA-N
Compound name
4-chloro-8-(difluoromethoxy)-3-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.99567 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00295 149.0
[M+Na]+ 296.98489 158.7
[M-H]- 272.98839 149.9
[M+NH4]+ 292.02949 165.0
[M+K]+ 312.95883 150.6
[M+H-H2O]+ 256.99293 145.8
[M+HCOO]- 318.99387 165.4
[M+CH3COO]- 333.00952 191.3
[M+Na-2H]- 294.97034 156.3
[M]+ 273.99512 149.4
[M]- 273.99622 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.